N-Boc-N,N-bis(2-chloroethyl)amine - CAS 118753-70-1
Catalog: |
BB004253 |
Product Name: |
N-Boc-N,N-bis(2-chloroethyl)amine |
CAS: |
118753-70-1 |
Synonyms: |
N,N-bis(2-chloroethyl)carbamic acid tert-butyl ester; tert-butyl N,N-bis(2-chloroethyl)carbamate |
IUPAC Name: | tert-butyl N,N-bis(2-chloroethyl)carbamate |
Description: | N-Boc-N,N-bis(2-chloroethyl)amine (CAS# 118753-70-1) is a useful research chemical. |
Molecular Weight: | 242.14 |
Molecular Formula: | C9H17Cl2NO2 |
Canonical SMILES: | CC(C)(C)OC(=O)N(CCCl)CCCl |
InChI: | InChI=1S/C9H17Cl2NO2/c1-9(2,3)14-8(13)12(6-4-10)7-5-11/h4-7H2,1-3H3 |
InChI Key: | FQZLNQAUUMSUHT-UHFFFAOYSA-N |
Boiling Point: | 290.7 ℃ at 760 mmHg |
Density: | 1.149 g/cm3 |
Storage: | Sealed in dry, Store in freezer, under -20 ℃ |
LogP: | 2.70110 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021197452-A1 | Crystal form of free alkali of nitrogen-containing aromatic derivatives | 20200403 |
WO-2021143680-A1 | Heteroaryl derivative, preparation method therefor, and use thereof | 20200116 |
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Complexity: | 174 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 241.0636342 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 241.0636342 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 29.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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